NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9039 8.3393 109.7321 45.3939 0.0000 174.0682 3 P 4.4335 0.0000 0.0000 62.4975 31.4941 171.0132 4 V 4.4193 7.1539 115.7315 58.2189 34.4031 179.0749 5 P 4.4659 0.0000 0.0000 62.2783 32.0163 175.7429 6 P 4.2520 0.0000 0.0000 65.6756 31.2445 178.7765 7 S 4.2661 8.2869 112.6817 62.3953 62.4927 176.7825 8 T 3.8665 7.7558 117.5090 66.5931 68.1370 175.6754 9 A 3.9314 7.9499 122.5342 55.0609 18.2158 179.1172 10 L 4.1417 7.9750 116.7255 58.0753 42.4580 179.3536 11 R 3.5877 8.3195 118.8535 59.4747 29.9344 178.1399 12 E 3.8909 8.2294 118.8691 59.0212 29.6981 178.2505 13 L 3.9573 7.8800 120.3429 58.3463 42.1185 178.9034 14 I 3.6027 7.9655 119.7683 64.6956 37.0829 178.2759 15 E 3.9384 7.9760 118.7887 59.3951 29.1016 179.5381 16 E 3.9589 8.1558 118.6991 59.2468 29.5557 179.2870 17 L 3.9979 7.7038 118.4867 57.8553 41.5276 179.4732 18 V 3.5490 7.5591 116.7054 66.1861 31.4093 177.2678 19 N 4.4198 7.9786 115.3549 56.7912 38.9380 176.4125 20 I 3.9639 8.2965 119.4450 62.6701 38.1159 175.7216 21 T 4.4083 8.0855 117.6146 62.1530 68.1468 173.0652 22 Q 4.3295 7.7364 125.4002 56.7221 34.4389 174.0654 *26 A 4.0668 7.8167 120.1292 50.4122 20.3141 174.2107 27 P 4.7508 0.0000 0.0000 60.8226 33.4732 174.5812 28 L 4.5180 8.3268 123.2791 55.1014 43.0584 176.8174 29 C 4.0429 8.9113 126.6417 59.7559 36.5804 173.9255 *30 N 4.2510 9.4498 111.3593 53.0374 34.7188 177.3718 31 G 3.9438 7.9310 103.7679 46.4957 0.0000 174.7379 32 S 4.0958 7.6440 116.0505 59.2845 63.6574 174.1432 33 M 4.5761 8.4535 124.1279 55.5110 32.8904 176.1256 34 V 4.1313 8.7395 114.4288 59.0344 36.5788 174.9167 35 W 5.0601 8.2482 124.0322 56.5198 29.6332 176.3287 36 S 5.0255 8.8374 118.5687 56.5391 65.0860 173.7948 37 I 4.6196 7.8321 119.5985 61.0669 37.5821 178.3583 38 N 4.5019 7.7301 120.0051 50.9043 36.7515 178.0808 *41 A 4.0768 7.4447 124.6771 49.3946 19.1090 174.7652 42 G 3.8223 7.5047 112.1934 44.0008 0.0000 172.3407 43 M 4.5940 7.2053 118.3776 53.4938 36.0678 174.8176 44 Y 4.3644 8.7040 115.6669 59.3655 38.3420 178.8855 45 C 4.4137 8.2778 117.9221 59.8122 38.7240 175.1117 46 A 4.1801 8.2431 121.7784 55.6133 17.6839 179.5268 47 A 4.4879 8.0471 116.7943 54.9203 18.6936 179.3536 48 L 4.1805 7.8200 119.2363 58.3143 42.2131 178.5642 49 E 4.2372 8.5310 115.0824 57.9464 29.6991 177.5620 50 S 4.6168 7.6441 112.0286 59.2314 63.2025 175.0120 51 L 4.2310 7.8416 121.7855 56.9580 41.8642 178.4241 52 I 3.9055 7.5982 108.2306 62.5279 37.3616 176.1278 53 N 4.5705 7.8643 117.7011 54.8972 39.1434 175.8017 54 V 3.6805 8.1204 120.4922 63.6325 31.6512 174.8178 55 S 4.6042 8.1386 117.7841 58.6802 65.0267 176.0122 56 G 4.2749 7.5655 108.6381 45.0582 0.0000 175.0187 57 C 4.7511 7.6136 119.4355 54.7627 37.7994 173.6569 58 S 4.1810 8.1080 118.2793 59.2058 63.1070 176.2680 59 A 4.0306 7.9787 123.1679 54.3243 18.3816 177.9830 60 I 4.3781 7.5604 114.5832 61.0151 38.4549 177.0624 61 E 4.5077 8.1248 124.5191 59.1812 29.4983 179.2408 62 K 3.9084 8.1159 123.2083 60.3695 31.6779 180.6600 63 T 4.1342 7.9766 116.4472 66.5872 68.3088 176.3362 64 Q 4.0430 7.8503 119.8135 59.2369 28.5898 179.2887 65 R 4.1114 7.6506 118.7012 58.9449 30.5205 178.6327 66 M 4.2778 8.6209 118.7551 58.6764 32.0288 178.9332 67 L 4.3743 8.7089 119.5309 57.6788 41.7051 179.2653 68 S 4.5317 8.5628 113.4688 60.1631 62.7991 175.9944 69 G 3.6211 7.7969 108.3110 46.2588 0.0000 174.4210 70 F 4.2345 7.9274 117.8577 57.7343 39.4621 174.6542 71 C 5.0126 7.8751 120.7819 53.7132 45.5776 171.6769 72 P 4.3305 0.0000 0.0000 62.7189 31.6287 175.1236 *73 H 3.8394 8.5571 116.1604 54.9277 27.0683 172.4297 *82 S 4.1853 8.1926 120.2818 57.3971 63.2520 174.4602 83 L 4.4546 7.3091 130.0560 55.5556 44.0597 175.1030 84 H 4.7311 8.7069 112.5067 57.2652 31.5803 175.1979 85 V 4.3650 7.3912 117.2202 59.7924 32.7673 176.9842 86 R 3.8476 7.7858 120.3239 56.2349 28.5638 175.3730 87 D 4.8442 8.1978 121.4451 52.8989 44.5086 176.9279 88 T 4.5701 7.5080 107.0697 60.5801 72.6005 173.6461 89 K 5.0691 8.5193 122.6511 55.9622 33.4257 174.9755 90 I 4.3060 7.9726 121.3004 58.9922 40.6898 175.0609 91 E 4.3814 8.4904 120.9856 55.8526 30.3648 178.5483 92 V 3.5475 7.9305 120.5445 66.2444 31.5334 177.9864 93 A 3.9988 8.0996 119.9871 55.6514 18.0226 179.3427 94 Q 3.9830 8.1025 117.0655 58.9233 29.1083 178.0996 95 F 4.0741 8.3326 122.0989 61.1438 39.5124 177.3131 96 V 3.4877 8.5780 118.1342 65.9558 31.1857 177.5114 97 K 3.8472 8.7695 122.2009 60.6246 31.6093 178.9310 98 D 4.2117 7.8287 120.9327 58.1256 39.7298 180.1361 99 L 3.8946 7.6545 121.9089 57.6752 42.0943 178.4154 100 L 3.8508 8.2650 121.0487 58.3966 41.8604 178.9679 101 L 4.1630 7.4511 117.9427 57.9887 40.5473 178.5428 102 H 4.1591 7.5424 119.9632 59.3321 29.8280 177.0746 103 L 3.9790 7.8762 120.7611 57.5278 41.2576 179.5770 104 K 3.9724 7.9941 118.6389 59.2484 31.9030 179.0802 105 K 3.8941 7.6625 119.8606 59.7200 32.1984 178.8724 106 L 3.9824 7.8090 119.0637 57.6569 41.4099 179.4245 107 F 4.1754 8.4637 120.9772 61.2835 39.1372 177.4531 108 R 3.8785 8.1715 116.9996 59.2741 30.0004 178.4655 109 E 4.1538 8.3246 116.4645 56.3221 29.9814 176.7684 110 G 3.7250 7.5862 106.6341 46.8375 0.0000 173.6295 111 Q 4.5038 8.0878 119.4564 54.7072 31.3045 174.7580 112 F 4.5671 9.1455 126.1457 58.9711 40.4647 174.5731 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 G 8.34 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.43 0.00 2.26 2.14 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 4 V 7.15 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 5 P 0.00 4.47 0.00 2.22 2.22 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 6 P 0.00 4.25 0.00 2.22 2.17 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 7 S 8.29 4.27 0.00 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.76 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 9 A 7.95 3.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.97 4.14 0.00 1.98 1.86 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.32 3.59 0.00 2.15 2.07 0.00 3.23 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 12 E 8.23 3.89 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 13 L 7.88 3.96 0.00 1.99 1.95 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.97 3.60 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 0.76 0.00 0.00 15 E 7.98 3.94 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 16 E 8.16 3.96 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 17 L 7.70 4.00 0.00 1.79 1.70 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.56 3.55 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.89 0.00 0.00 19 N 7.98 4.42 0.00 2.88 3.03 0.00 0.00 7.22 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.30 3.96 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.97 0.00 0.00 21 T 8.09 4.41 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 7.74 4.33 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 *26 A 7.82 4.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.75 0.00 2.17 2.04 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 28 L 8.33 4.52 0.00 1.74 1.59 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.91 4.04 0.00 3.20 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 N 9.45 4.25 0.00 2.85 2.71 0.00 0.00 6.95 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.64 4.10 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.45 4.58 0.00 1.61 1.80 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 34 V 8.74 4.13 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.45 0.00 0.00 35 W 8.25 5.06 0.00 3.49 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.84 5.03 0.00 3.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.83 4.62 1.84 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.91 0.00 0.00 38 N 7.73 4.50 0.00 2.74 2.64 0.00 0.00 6.90 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 A 7.44 4.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.50 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 7.21 4.59 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 44 Y 8.70 4.36 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.28 4.41 0.00 3.06 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.24 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.05 4.49 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.82 4.18 0.00 2.00 2.01 1.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.53 4.24 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.37 0.00 50 S 7.64 4.62 0.00 4.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.84 4.23 0.00 1.91 1.69 1.17 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.60 3.91 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.56 0.95 0.00 0.00 53 N 7.86 4.57 0.00 2.75 2.94 0.00 0.00 6.96 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.12 3.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.90 0.00 0.00 55 S 8.14 4.60 0.00 3.64 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.57 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.61 4.75 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.11 4.18 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.98 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.56 4.38 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.47 1.00 0.00 0.00 61 E 8.12 4.51 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.19 0.00 62 K 8.12 3.91 0.00 1.80 1.82 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.12 7.81 63 T 7.98 4.13 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 64 Q 7.85 4.04 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 65 R 7.65 4.11 0.00 1.99 2.02 0.00 3.15 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 66 M 8.62 4.28 0.00 2.14 2.39 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 67 L 8.71 4.37 0.00 1.96 1.89 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.56 4.53 0.00 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.93 4.23 0.00 3.13 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 7.88 5.01 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.33 0.00 2.11 2.03 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 *73 H 8.56 3.84 0.00 2.93 2.94 0.00 7.23 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *82 S 8.19 4.19 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.31 4.45 0.00 1.43 1.35 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.71 4.73 0.00 3.08 3.25 0.00 5.94 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.39 4.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 86 R 7.79 3.85 0.00 1.82 1.80 0.00 3.17 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 87 D 8.20 4.84 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.51 4.57 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 89 K 8.52 5.07 0.00 1.51 1.53 0.00 0.61 0.00 0.00 0.65 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.88 0.71 7.81 90 I 7.97 4.31 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 0.94 0.00 0.00 91 E 8.49 4.38 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 92 V 7.93 3.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 93 A 8.10 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.10 3.98 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 95 F 8.33 4.07 0.00 3.28 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.58 3.49 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.14 0.00 0.00 97 K 8.77 3.85 0.00 2.03 1.80 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 98 D 7.83 4.21 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.65 3.89 0.00 1.37 1.61 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.27 3.85 0.00 1.76 1.87 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.45 4.16 0.00 2.01 1.88 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 H 7.54 4.16 0.00 3.02 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.88 3.98 0.00 1.70 1.67 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.99 3.97 0.00 1.93 1.89 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.65 7.81 105 K 7.66 3.89 0.00 1.74 1.90 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 106 L 7.81 3.98 0.00 1.95 1.79 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.46 4.18 0.00 3.17 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.17 3.88 0.00 1.99 1.97 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 109 E 8.32 4.15 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 110 G 7.59 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.09 4.50 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.97 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 112 F 9.15 4.57 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.